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PDM2

CAT: 0804-HY-112629-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-112629-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
PDM2 is a selective, high-affinity aryl hydrocarbon receptor (AhR) antagonist with an Ki of 1.2±0.4 nM.
CAS Number
688348-25-6
UNSPSC
12352005
Hazard Statement
H302, H318, H410
Target
Aryl Hydrocarbon Receptor
Type
Reference compound
Related Pathways
Immunology/Inflammation
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/PDM2.html
Purity
98.96
Solubility
DMSO : 50 mg/mL (ultrasonic)
Smiles
ClC1=CC=C(/C=C/C2=CC(Cl)=CC(Cl)=C2)C=C1
Molecular Formula
C14H9Cl3
Molecular Weight
283.58
Precautions
H302, H318, H410
References & Citations
[1]de Medina P, et al. Synthesis and biological properties of new stilbene derivatives of resveratrol as new selective aryl hydrocarbon modulators. J Med Chem. 2005 Jan 13;48 (1) :287-91.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

1,3-Dichloro-5-[(1E)-2-(4-chlorophenyl)ethenyl]-benzene
CAS Number688348-25-6
PubChem CID9838722
IUPAC Name1,3-dichloro-5-[(E)-2-(4-chlorophenyl)ethenyl]benzene
Molecular FormulaC14H9Cl3
Molecular Weight283.6
XLogP6.1
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count2
Heavy Atom Count17
Formal Charge0
Complexity246
SMILES
C1=CC(=CC=C1/C=C/C2=CC(=CC(=C2)Cl)Cl)Cl
InChI
InChI=1S/C14H9Cl3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9H/b2-1+
InChIKey
JMYNPQVCVQVODQ-OWOJBTEDSA-N
Chemical Structure
2D Structure
2D structure of 1,3-Dichloro-5-[(1E)-2-(4-chlorophenyl)ethenyl]-benzene
CAS: 688348-25-6
CID: 9838722
Formula: C14H9Cl3
MW: 283.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight283.6
XLogP36.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count2
Exact Mass281.976983
Monoisotopic Mass281.976983
Topological Polar Surface Area0 Ų
Heavy Atom Count17
Formal Charge0
Complexity246
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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